UCSF

ZINC41585236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: 3-(2-bromophenoxy)-7-hydroxy-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(2-bromophenoxy)-7-hydroxy-8-[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.55 9.67 -12.97 1 6 0 66 507.384 5 ↓
Hi High (pH 8-9.5) 5.55 10.44 -42.84 0 6 -1 69 506.376 5 ↓
Mid Mid (pH 6-8) 5.55 11.9 -57.93 2 6 1 67 508.392 5 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.